Basic information
- Standard SMILES
CC/C=C\CCOc1nsnc1-c1ccc[n+](C)c1.[I-]- InChIKey
QZHWHSMSPNUXGP-MKWAYWHRSA-M- Molecular formula
- C14H18IN3OS
- Average molar mass
- 403.28 g/mol
- Monoisotopic mass
- 403.02153
Names & identifiers
- Preferred name
- cis-3-(3-(3-Hexenyloxy)-1,2,5-thiadiazol-4-yl)-1-methylpyridinium iodide
- IUPAC
- 3-[(Z)-hex-3-enoxy]-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide
Names & synonyms
SCHEMBL7609426QZHWHSMSPNUXGP-MKWAYWHRSA-Mcis-3-(3-(3-Hexenyloxy)-1,2,5-thiadiazol-4-yl)-1-methylpyridinium iodidecis-3-(4-(3-hexenyloxy)-1,2,5-thiadiazol-3-yl)-1-methylpyridinium iodidecis-3-(3-(3-Hexenyloxy)-1,2,5-thiadiazol-4-yl)-1 -methylpyridinium iodide
Database identifiers
- PubChem CID
- 70144331
Properties
Computed structural properties
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Related reactions
13 records
Linked notes
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